Sodium phenoxide - Reagent grade , CAS No.139-02-6

CAS: 139-02-6 Cat. No.: S432024 Formule: C₆H₅NaO Poids moléculaire: 116.09 Numéro CE: 205-347-3

GRADE & PURITY Reagent Grade

Synonyms

NCGC00257188-01 | Phenol sodium salt | C6H5NaO | Phenol sodium | Q410045 | SODIUM PHENOXIDE [INCI] | Phenol, sodium salt (1:1) | EINECS 205-347-3 | AKOS009031400 | Caswell No. 786A | D05455 | MFCD00013134 | Sodium phenate | sodium benzenolate | Benzenesul

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

Other Notes

Please note that Aladdin provides this product to early discovery researchers as part of a collection of unique chemicals. Aladdin does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN Aladdin′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN Aladdin AND BUYER, Aladdin SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Specifications

Synonymes

NCGC00257188-01 | Phenol sodium salt | C6H5NaO | Phenol sodium | Q410045 | SODIUM PHENOXIDE [INCI] | Phenol, sodium salt (1:1) | EINECS 205-347-3 | AKOS009031400 | Caswell No. 786A | D05455 | MFCD00013134 | Sodium phenate | sodium benzenolate | Benzenesul

Spécifications et pureté

Reagent grade

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Reagent Grade

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)[O-].[Na+]
• IUPAC Name: sodium;phenoxide
• InChIKey: NESLWCLHZZISNB-UHFFFAOYSA-M
• INCHI: 1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
• Isomères SMILES: C1=CC=C(C=C1)[O-].[Na+]
• CAS alternatif: 156150-40-2
• Numéro ONU: 2905
• Groupe d'emballage: III
• Poids moléculaire: 116.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxides
• Alternative Parents: Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.
• External Descriptors: phenolate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Point de fusion (°C): >300°C
• Poids moléculaire: 116.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.024 Da
• Monoisotopic Mass: 116.024 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Références

1. Zifeng Yang, Lei Liu, Hongzhe An, Chenhao Li, Zhencai Zhang, Wenjuan Fang, Fei Xu, Suojiang Zhang.  (2020)  Cost-Effective Synthesis of High Molecular Weight Biobased Polycarbonate via Melt Polymerization of Isosorbide and Dimethyl Carbonate.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.0c00430]

2. Xianghe Meng, Lei Li, Qin Ye, Frederik van de Voort.  (2015)  Fourier Transform Infrared (FTIR) Spectroscopy as a Utilitarian Tool for the Routine Determination of Acidity in Ester-Based Oils.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:26321291] [10.1021/acs.jafc.5b02738]